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Related Concept Videos

Drug Discovery: Overview01:26

Drug Discovery: Overview

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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
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Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
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Preclinical development consists of a series of tests that ensure the safety and efficacy of a new therapeutic compound before it is tested in humans. There are four main phases to this process. First, safety pharmacology tests are conducted to ensure the drug does not produce any acutely harmful effects. These tests examine parameters such as bronchoconstriction, cardiac dysrhythmias, blood pressure changes, and ataxia. Next, preliminary toxicological testing is performed to determine the...
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Drugs, the chemical agents used in diagnosing, treating, or preventing diseases, undergo a four-phase process of development: pharmaceutic, pharmacokinetics, pharmacodynamics, and therapeutic.
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Clinical Trials: Overview01:11

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Clinical development focuses on how the drug will interact with the human body and encompasses four key phases of clinical trials, each serving a specific purpose in assessing the safety and effectiveness of new drugs. These phases overlap and build upon one another. Phase I involves a small group of healthy volunteers (typically 20-80 individuals) or, in cases where significant toxicity is expected, patients with the targeted disease, such as cancer or AIDS. The volunteers are tested for...
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Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
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Current and Future Challenges in Modern Drug Discovery.

Christofer S Tautermann1

  • 1Department of Medicinal Chemistry, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach, Germany. christofer.tautermann@boehringer-ingelheim.com.

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Summary

Drug discovery faces high risks and costs. New strategies, including advanced computational methods and novel drug modalities, are essential to improve efficacy and safety, thereby reducing late-stage failures in developing new medicines.

Keywords:
Drug designDrug discoveryNew chemical entitiesQuantum mechanics in drug designR&D efficiencyR&D spending

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Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Drug Discovery

Background:

  • Drug discovery is a costly, lengthy, and high-risk process.
  • Late-stage attrition due to lack of efficacy or safety issues is common.
  • Emerging target spaces and novel modalities offer opportunities for previously undruggable targets.

Purpose of the Study:

  • To highlight the importance of learnings from past projects and new approaches in drug discovery.
  • To discuss strategies for improving drug efficacy and safety.
  • To provide an overview of advanced computational methods, particularly quantum chemistry, in drug design.

Main Methods:

  • Leveraging genetic links to human disease and understanding target biology.
  • Utilizing biomarkers for translational studies from animals to humans.
  • Employing advanced computational techniques, including artificial intelligence, free energy calculations, and quantum chemistry for ligand design.

Main Results:

  • New modalities like allosteric ligands and covalent binders are being explored.
  • Computational methods, especially quantum chemistry, are critical for designing compounds for difficult targets.
  • Improved understanding of target biology and robust biomarkers enhance efficacy prediction.

Conclusions:

  • Adopting new strategies and advanced computational methods is crucial for mitigating risks in drug discovery.
  • Focusing on target-disease genetics, biology, and biomarkers improves efficacy.
  • Ligand optimization using sophisticated design methods enhances compound safety for challenging targets.